| CAS Number | 222846-44-8 |
| Catalog Number | AG00J3IA |
| Chemical Name | N-(4-chlorobenzyl)-2-methyl-1-propanamine hydrochloride |
| IUPAC Name | N-[(4-chlorophenyl)methyl]-2-methylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H16ClN.ClH/c1-9(2)7-13-8-10-3-5-11(12)6-4-10;/h3-6,9,13H,7-8H2,1-2H3;1H |
| InChI Key | CHUHPDXFHNCCJU-UHFFFAOYSA-N |
| MDL Number | MFCD13186367 |
| Molecular Formula | C11H17Cl2N |
| Molecular Weight | 234.1654 |
| SMILES | N(CC(C)C)CC1C=CC(Cl)=CC=1.Cl |
| Synonyms | N-(4-Chlorobenzyl)-2-methyl-1-propanamine hydrochloride,
222846-44-8,
ZX-CM015563,
MFCD13186367,
69957-81-9,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.164g/mol |
| Monoisotopic Mass | 233.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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